N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-5-chloranyl-phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-5-chloranyl-phenyl]thiophene-2-carboxamide Openeye Name: N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-5-chloro-phenyl]thiophene-2-carboxamide CAS Name: N-[2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]-oxomethyl]-5-chlorophenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-5-chlorophenyl]thiophene-2-carboxamide Traditional Name: N-[2-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]-5-chloro-phenyl]thiophene-2-carboxamide Formula: C21H16ClN3O2S2 MolecularWeight: 441.95364

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3=C(C=C(C=C3)Cl)NC(=O)C4=CC=CS4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3=C(C=C(C=C3)Cl)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H16ClN3O2S2/c1-25(12-19-23-15-5-2-3-6-17(15)29-19)21(27)14-9-8-13(22)11-16(14)24-20(26)18-7-4-10-28-18/h2-11H,12H2,1H3,(H,24,26)